Erbstatin
AlkaPlorer ID: AK297648
Synonym: N-[2-(2,5-Dihydroxyphenyl)ethenyl]formamide, MH 435A, Antibiotic MH 435A
IUPAC Name: N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide
Structure
SMILES: O=CN/C=C\C1=CC(O)=CC=C1O
InChI: InChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3-
InChIKey: SIHZWGODIRRSRA-ARJAWSKDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 179.17499999999998
TPSA？: 69.56
MolLogP？: 0.8144999999999998
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | -7.5 | % | 10.6019/CHEMBL4296182 |
| Candida albicans | Candida albicans | Inhibition | 4.27 | % | 10.6019/CHEMBL4296182 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | 7.81 | % | 10.6019/CHEMBL4296182 |
| Escherichia coli | Escherichia coli | Inhibition | -8.61 | % | 10.6019/CHEMBL4296182 |
| Homo sapiens | 786-0 | GI50 | 15812.48 | nM | None |
| Homo sapiens | A498 | GI50 | 74816.95 | nM | None |
| Homo sapiens | A549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 14962.36 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 12676.52 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 5105.05 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 14223.29 | nM | None |
| Homo sapiens | Cystathionine gamma-lyase | IC50 | 50000.0 | nM | 10.1021/acs.jmedchem.8b01720 |
| Homo sapiens | DLD-1 | GI50 | 14554.59 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 14487.72 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 7112.14 | nM | None |
| Homo sapiens | EKVX | GI50 | 15523.87 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 10568.18 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 9311.08 | nM | None |
| Homo sapiens | HL-60 | GI50 | 10447.2 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 16826.74 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 18578.04 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 14223.29 | nM | None |
| Homo sapiens | HT-29 | GI50 | 16943.38 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 40086.67 | nM | None |
| Homo sapiens | K562 | GI50 | 13304.54 | nM | None |
| Homo sapiens | KM12 | GI50 | 22490.55 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 14757.07 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 7227.7 | nM | None |
| Homo sapiens | LXFL 529 | GI50 | 10764.65 | nM | None |
| Homo sapiens | M14 | GI50 | 13520.73 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 11803.21 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 13803.84 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 18197.01 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 14487.72 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 15848.93 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 10000.0 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 4988.84 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 12218.0 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 12705.74 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 15595.53 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 13583.13 | nM | None |
| Homo sapiens | SF-268 | GI50 | 22490.55 | nM | None |
| Homo sapiens | SF-295 | GI50 | 28444.61 | nM | None |
| Homo sapiens | SF-539 | GI50 | 10665.96 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 48865.24 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 42169.65 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 7585.78 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 13995.87 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 69984.2 | nM | None |
| Homo sapiens | SR | GI50 | 3908.41 | nM | None |
| Homo sapiens | SW-620 | GI50 | 12589.25 | nM | None |
| Homo sapiens | TK-10 | GI50 | 46238.1 | nM | None |
| Homo sapiens | U-251 | GI50 | 31988.95 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 11694.99 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 11641.26 | nM | None |
| Homo sapiens | UO-31 | GI50 | 13772.09 | nM | None |
| Homo sapiens | XF498 | GI50 | 15417.0 | nM | None |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 6.52 | % | 10.6019/CHEMBL4296182 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | -23.16 | % | 10.6019/CHEMBL4296182 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | -18.33 | % | 10.6019/CHEMBL4296182 |